SCHEMBL8941957

SCHEMBL8941957

NC1(c2ccccc2)CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C2CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TOP2A P11388 3/20 0.44
TOP2B Q02880 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM2 P08172 1/20 0.42
DRD1 P21728 1/20 0.42
MAPT P10636 1/20 0.42
PIK3CG P48736 3/20 0.42
ABCC4 O15439 1/20 0.40
KCNH2 Q12809 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8941969 0.88 DPP4 (0.48) DPP4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8941927 0.87 EPHA2 (0.38) DPP4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8942264 0.85 KDM4E (0.49) DPP4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8942108 0.85 KDM4E (0.37) DPP4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8941896 0.85 LMNA (0.49) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL8942026 0.85 ALDH1A1 (0.44) DPP4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8942182 0.85 EPHA2 (0.37) DPP4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8941911 0.84 KDM4E (0.47) DPP4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8941888 0.84 DPP4 (0.53) DPP4KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8942340 0.83 DPP4 (0.54) DPP4KDM4EALDH1A1LMNAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed